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Add parallelization to DrfpEncoder.encode() #3

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cthoyt opened this issue Feb 1, 2022 · 0 comments
Open

Add parallelization to DrfpEncoder.encode() #3

cthoyt opened this issue Feb 1, 2022 · 0 comments

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@cthoyt
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cthoyt commented Feb 1, 2022

I'm running DRFP on the 30K reactions from Rhea and it takes about 20 minutes on my 2019 macbook pro on a single core. It would be great to add some simple parallelization arguments to DrfpEncoder.encode to speed this up linearly with the number of cores (minus some small overhead)
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